(E)-3-(4-Bromophenyl)-2-cyanoprop-2-enethioamide CAS 68029-54-9

Purity 97%+In StockPharmaceutical Standards
CAS No.68029-54-9
Molecular FormulaC10H7BrN2S
Molecular Weight267.14 g/mol
CategoryPharmaceutical Standards / API Standards
AvailabilityIn Stock

Chemical Structure

(E)-3-(4-Bromophenyl)-2-cyanoprop-2-enethioamide CAS 68029-54-9 chemical structure

Description

Compared with other compounds in its class, the molecular weight of 267.14 g/mol gives (E)-3-(4-Bromophenyl)-2-cyanoprop-2-enethioamide distinctive chromatographic separation conditions and mass-spectrometry parameter settings.

(E)-3-(4-Bromophenyl)-2-cyanoprop-2-enethioamide (CAS 68029-54-9), molecular formula C10H7BrN2S and molecular weight 267.14 g/mol, is a CATO reference standard with documented purity and traceability.

Owing to a nitrogen-containing heterocyclic scaffold, a nitrile group, sulfur-containing functionality, bromine substitution, (E)-3-(4-Bromophenyl)-2-cyanoprop-2-enethioamide is typically pale yellow to yellow crystalline powder. Its solid-state physicochemical attributes — including a molecular weight of 267.14 g/mol — guide the selection of appropriate sample preparation and analytical techniques. The presence of an aromatic ring or conjugated system gives the compound characteristic absorption bands in the UV-Vis region, making it well suited to UV or diode-array detection (DAD).

This reference standard is suitable for quantitative analysis on major chromatographic platforms including HPLC, GC, LC-MS/MS, and GC-MS, serving as an external calibration standard or a system suitability test reference material.

The assigned purity is verified by mass-balance and quantitative NMR (qNMR) approaches, with the expanded uncertainty reported at a 95% confidence level (k=2). Batch homogeneity and stability are independently assessed for every lot.

Physical & Chemical Properties

Molecular FormulaC10H7BrN2S
Molecular Weight267.14 g/mol
Purity97%+
StorageStore at 2-8°C, protect from light, keep tightly closed to prevent evaporation
Solubility (reference)Soluble in DMSO, DMF, methanol
StabilityMay oxidize slowly on prolonged air exposure; Light-sensitive; avoid direct strong light
Degree of Unsaturation (DBE)8.0
UV AbsorptionUV-absorbing
Structural FeaturesAromatic ring present
CAS Registry Year (est.)1976
Halogen ContentBr-containing
Nitrogen Atoms2
Sulfur Atoms1

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